(5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol

C14H11FN4O — CID 105128674

IUPAC(5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cncc(F)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H11FN4O/c15-11-6-10(7-16-8-11)14(20)13-9-17-18-19(13)12-4-2-1-3-5-12/h1-9,14,20H
InChIKeyXNHPUXIOVSVKCO-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.88
Rot. Bonds3

About (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol

(5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 105128674) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol
PubChem CID105128674
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name(5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cncc(F)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H11FN4O/c15-11-6-10(7-16-8-11)14(20)13-9-17-18-19(13)12-4-2-1-3-5-12/h1-9,14,20H
InChIKeyXNHPUXIOVSVKCO-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
[5-[(4-Fluorophenyl)methylamino]-2-pyridinyl]methanol
CID 12640240
4-(1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)phenol
CID 52941336
2,2,2-Trifluoro-1-[2,3,5,6-tetrafluoro-4-(4-phenyltriazol-1-yl)phenyl]ethanol
CID 171351856
(2S)-2-[4-[(1S)-1-[(E)-4-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)butan-2-ylideneamino]oxyethyl]triazol-1-yl]-3-phenylpropan-1-ol
CID 9556003
(2S)-2-[4-[(1R)-1-[(E)-4-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)butan-2-ylideneamino]oxyethyl]triazol-1-yl]-3-phenylpropan-1-ol
CID 9556007
1-Piperazineethanol, 4-(o-fluorophenyl)-alpha-(3-pyridyl)-
CID 3044997
1-Phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol
CID 46863267
[4-(1-Pyridin-3-yltriazol-4-yl)phenyl]methanol
CID 162659396
[4-[4-(2,4-Difluorophenyl)triazol-1-yl]phenyl]methanol
CID 172438733
1-Phenyl-2-(4-phenyl-1h-1,2,3-triazol-1-yl)ethanol
CID 24178831
(R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 155935301

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol (CID 105128674) is (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol is OC(c1cncc(F)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is XNHPUXIOVSVKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-6-10(7-16-8-11)14(20)13-9-17-18-19(13)12-4-2-1-3-5-12/h1-9,14,20H.
What are the key properties of (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol?
(5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 270.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105128674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).